3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine

C16H17F2N — CID 131938810

IUPAC3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
SMILESFc1ccc(CNCCCc2ccccc2F)cc1
InChIInChI=1S/C16H17F2N/c17-15-9-7-13(8-10-15)12-19-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10,19H,3,5,11-12H2
InChIKeyDCTCXEQANGGWON-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.69
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine

3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 131938810) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
PubChem CID131938810
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
SMILESFc1ccc(CNCCCc2ccccc2F)cc1
InChIInChI=1S/C16H17F2N/c17-15-9-7-13(8-10-15)12-19-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10,19H,3,5,11-12H2
InChIKeyDCTCXEQANGGWON-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 22660905
N-[(4-fluorophenyl)methyl]-3-phenylpropan-1-amine;oxalic acid
CID 17078916
N-[[4-(difluoromethyl)phenyl]methyl]-2-(2-fluorophenyl)ethanamine
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N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
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CID 4718343
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39362846
2-(2-fluorophenyl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 4718833
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]phenoxy]acetonitrile
CID 43221883

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine (CID 131938810) is 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine is Fc1ccc(CNCCCc2ccccc2F)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is DCTCXEQANGGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c17-15-9-7-13(8-10-15)12-19-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10,19H,3,5,11-12H2.
What are the key properties of 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine?
3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 131938810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).